'''
Created on Feb 9, 2012

@author: xzhu
'''
# all the possible ionization states a residue could have
# program generates different ionization states of residues according to this information
POSS_IONI = {'ASP':[-1, 0], 'RSB':[1, 0], 'ARG':[1, 0], 'GLU':[-1, 0], 'HOH':[0, -1, 1], 'HYD':[0, 1]}



ION_HEAD  = {'-':'-', '0':'0', '+':'+', 'D':'m'}


# get the charge (integer) of a conformer, or vice versa
SYMBOLTOINT = {'-':-1, '+':1, '0':0}
INTTOSYMBOL = {-1:'-', 1:'+', 0:'0'}